1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine

C8H11F3N2OS — CID 135377699

IUPAC1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(OCC(F)(F)F)sc1C(C)N
InChIInChI=1S/C8H11F3N2OS/c1-4(12)6-5(2)13-7(15-6)14-3-8(9,10)11/h4H,3,12H2,1-2H3
InChIKeyXQQWRCBXPWYAEC-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.41
Rot. Bonds3

About 1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine

1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine (PubChem CID 135377699) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
PubChem CID135377699
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(OCC(F)(F)F)sc1C(C)N
InChIInChI=1S/C8H11F3N2OS/c1-4(12)6-5(2)13-7(15-6)14-3-8(9,10)11/h4H,3,12H2,1-2H3
InChIKeyXQQWRCBXPWYAEC-UHFFFAOYSA-N
XLogP2.41
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine (CID 135377699) is 1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine is Cc1nc(OCC(F)(F)F)sc1C(C)N.
What is the InChIKey of 1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is XQQWRCBXPWYAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-4(12)6-5(2)13-7(15-6)14-3-8(9,10)11/h4H,3,12H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 240.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 135377699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).